(3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H22N4OS — CID 72898209

IUPAC(3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C20H22N4OS/c1-15-6-13-26-18(15)20(25)23-10-4-17(5-11-23)19-22-9-12-24(19)14-16-2-7-21-8-3-16/h2-3,6-9,12-13,17H,4-5,10-11,14H2,1H3
InChIKeyPIGCGHMTQZRNEC-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.72
Rot. Bonds4

About (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72898209) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72898209
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C20H22N4OS/c1-15-6-13-26-18(15)20(25)23-10-4-17(5-11-23)19-22-9-12-24(19)14-16-2-7-21-8-3-16/h2-3,6-9,12-13,17H,4-5,10-11,14H2,1H3
InChIKeyPIGCGHMTQZRNEC-UHFFFAOYSA-N
XLogP3.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72898209) is (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ccsc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PIGCGHMTQZRNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15-6-13-26-18(15)20(25)23-10-4-17(5-11-23)19-22-9-12-24(19)14-16-2-7-21-8-3-16/h2-3,6-9,12-13,17H,4-5,10-11,14H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 366.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72898209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).